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methyl 2,6-bis(3-oxobutyl)benzoate
SpectraBase Compound ID JEzrYdIWjg3
InChI InChI=1S/C16H20O4/c1-11(17)7-9-13-5-4-6-14(10-8-12(2)18)15(13)16(19)20-3/h4-6H,7-10H2,1-3H3
InChIKey MGTXKDOGCDDDSV-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4H0I3oVOvuS
Name methyl 2,6-bis(3-oxobutyl)benzoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C16H20O4/c1-11(17)7-9-13-5-4-6-14(10-8-12(2)18)15(13)16(19)20-3/h4-6H,7-10H2,1-3H3
InChIKey MGTXKDOGCDDDSV-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Reported Formula C16H20O4
SMILES COC(C1=C(C=CC=C1CCC(C)=O)CCC(C)=O)=O
SPLASH splash10-0udi-0090000000-c2a7bf23c2d851eed500
Source of Spectrum QE-24-SM17-3wa' (DOI: 10.1002/chem.201800757)
Wiley ID 1900163